SCHEMBL21625482

SCHEMBL21625482

C=C(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
AR P10275 2/20 0.34
HPD P32754 3/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29722045 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4TSHRTDP1
SCHEMBL3060388 0.76 GPR35 (0.41) ALDH1A1KDM4ECYP3A4TSHRTDP1
SCHEMBL1506607 0.76 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4TSHRTDP1
SCHEMBL30515386 0.74 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL3061406 0.74 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL3059793 0.73 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL16346746 0.73 CA12 (0.45) ALDH1A1KDM4ECYP3A4TSHRTDP1
SCHEMBL17504828 0.73 ALDH1A1 (0.40) ALDH1A1KDM4ECYP3A4TSHRTDP1
SCHEMBL24693354 0.71 TRPV4 (0.33)
SCHEMBL21625533 0.71 AR (0.37) ALDH1A1KDM4ECYP3A4TSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-01-24 US disclosed
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-01-24 US disclosed
EP-3823726-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY F. Hoffmann-La Roche SA (CH) 2021-05-26 EP disclosed
CN-112437683-A Sulfonylurea compounds useful as inhibitors of interleukin-1 activity 豪夫迈·罗氏有限公司 2021-03-02 CN disclosed
WO-2020018970-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 ALDH1A1 1315/4885KDM4E 4310/4885CYP3A4 4174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.